MODEL 1 REMARK VINA RESULT: -4.8 0.000 0.000 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: P_1 and O_2 REMARK 2 A between atoms: P_1 and O_3 REMARK 3 A between atoms: P_1 and C_8 REMARK 4 A between atoms: O_5 and C_10 REMARK 5 A between atoms: N_7 and C_8 REMARK 6 A between atoms: N_7 and C_9 REMARK 7 A between atoms: C_9 and C_10 ROOT ATOM 1 N UNL d 1 34.354 75.399 105.796 0.00 0.00 0.104 N ATOM 2 H UNL d 1 34.454 74.451 105.402 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 33.014 75.419 106.451 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 32.082 76.852 105.895 0.00 0.00 0.264 P ATOM 5 O UNL d 1 32.302 77.283 104.481 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 30.567 76.466 106.241 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 30.359 75.538 106.022 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 32.382 77.996 106.980 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 33.322 78.257 107.010 0.00 0.00 0.220 HD ENDBRANCH 4 8 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 10 ATOM 10 C UNL d 1 35.351 75.543 106.906 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 35.576 76.999 107.291 0.00 0.00 0.168 C ATOM 12 O UNL d 1 35.226 77.493 108.350 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 36.172 77.710 106.305 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 36.107 77.198 105.471 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 2 REMARK VINA RESULT: -4.8 1.466 1.568 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: P_1 and O_2 REMARK 2 A between atoms: P_1 and O_3 REMARK 3 A between atoms: P_1 and C_8 REMARK 4 A between atoms: O_5 and C_10 REMARK 5 A between atoms: N_7 and C_8 REMARK 6 A between atoms: N_7 and C_9 REMARK 7 A between atoms: C_9 and C_10 ROOT ATOM 1 N UNL d 1 34.601 77.535 105.024 0.00 0.00 0.104 N ATOM 2 H UNL d 1 34.753 77.756 104.028 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 33.546 76.482 105.043 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 32.057 77.122 105.821 0.00 0.00 0.264 P ATOM 5 O UNL d 1 31.041 77.736 104.914 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 31.518 75.876 106.671 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 31.920 75.830 107.560 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 32.576 78.105 106.979 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 32.384 79.044 106.798 0.00 0.00 0.220 HD ENDBRANCH 4 8 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 10 ATOM 10 C UNL d 1 35.843 76.875 105.543 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 35.737 76.533 107.023 0.00 0.00 0.168 C ATOM 12 O UNL d 1 35.853 75.408 107.479 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 35.450 77.613 107.786 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 34.991 78.276 107.226 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 3 REMARK VINA RESULT: -4.8 2.147 3.684 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: P_1 and O_2 REMARK 2 A between atoms: P_1 and O_3 REMARK 3 A between atoms: P_1 and C_8 REMARK 4 A between atoms: O_5 and C_10 REMARK 5 A between atoms: N_7 and C_8 REMARK 6 A between atoms: N_7 and C_9 REMARK 7 A between atoms: C_9 and C_10 ROOT ATOM 1 N UNL d 1 33.926 74.808 105.478 0.00 0.00 0.104 N ATOM 2 H UNL d 1 33.819 75.421 104.656 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 33.396 75.592 106.631 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 32.337 76.916 106.035 0.00 0.00 0.264 P ATOM 5 O UNL d 1 32.537 77.345 104.618 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 30.862 76.389 106.365 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 30.736 76.205 107.315 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 32.504 78.102 107.104 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 31.837 78.072 107.816 0.00 0.00 0.220 HD ENDBRANCH 4 8 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 10 ATOM 10 C UNL d 1 32.990 73.648 105.311 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 32.334 73.633 103.938 0.00 0.00 0.168 C ATOM 12 O UNL d 1 31.576 72.760 103.546 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 32.718 74.677 103.167 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 33.261 74.333 102.427 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 4 REMARK VINA RESULT: -4.8 1.569 2.072 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: P_1 and O_2 REMARK 2 A between atoms: P_1 and O_3 REMARK 3 A between atoms: P_1 and C_8 REMARK 4 A between atoms: O_5 and C_10 REMARK 5 A between atoms: N_7 and C_8 REMARK 6 A between atoms: N_7 and C_9 REMARK 7 A between atoms: C_9 and C_10 ROOT ATOM 1 N UNL d 1 34.565 77.656 105.096 0.00 0.00 0.104 N ATOM 2 H UNL d 1 34.827 78.126 104.217 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 33.418 76.769 104.747 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 32.071 77.024 105.909 0.00 0.00 0.264 P ATOM 5 O UNL d 1 31.506 75.801 106.554 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 32.664 78.101 106.934 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 32.670 77.775 107.855 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 30.987 77.899 105.110 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 30.188 77.393 104.872 0.00 0.00 0.220 HD ENDBRANCH 4 8 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 10 ATOM 10 C UNL d 1 35.687 76.738 105.479 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 35.715 76.458 106.975 0.00 0.00 0.168 C ATOM 12 O UNL d 1 35.874 75.352 107.466 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 35.495 77.569 107.716 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 36.180 78.234 107.489 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 5 REMARK VINA RESULT: -4.7 2.373 3.426 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: P_1 and O_2 REMARK 2 A between atoms: P_1 and O_3 REMARK 3 A between atoms: P_1 and C_8 REMARK 4 A between atoms: O_5 and C_10 REMARK 5 A between atoms: N_7 and C_8 REMARK 6 A between atoms: N_7 and C_9 REMARK 7 A between atoms: C_9 and C_10 ROOT ATOM 1 N UNL d 1 33.966 75.096 105.518 0.00 0.00 0.104 N ATOM 2 H UNL d 1 34.932 74.827 105.760 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 33.179 73.830 105.553 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 31.970 73.824 104.223 0.00 0.00 0.264 P ATOM 5 O UNL d 1 31.565 72.486 103.697 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 30.764 74.696 104.814 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 30.909 74.951 105.745 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 32.567 74.811 103.106 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 31.929 75.016 102.398 0.00 0.00 0.220 HD ENDBRANCH 4 8 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 10 ATOM 10 C UNL d 1 33.430 75.938 106.637 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 32.706 77.177 106.128 0.00 0.00 0.168 C ATOM 12 O UNL d 1 32.335 77.332 104.976 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 32.554 78.121 107.086 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 33.240 78.809 106.954 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 6 REMARK VINA RESULT: -4.6 2.444 4.422 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: P_1 and O_2 REMARK 2 A between atoms: P_1 and O_3 REMARK 3 A between atoms: P_1 and C_8 REMARK 4 A between atoms: O_5 and C_10 REMARK 5 A between atoms: N_7 and C_8 REMARK 6 A between atoms: N_7 and C_9 REMARK 7 A between atoms: C_9 and C_10 ROOT ATOM 1 N UNL d 1 33.465 74.770 105.076 0.00 0.00 0.104 N ATOM 2 H UNL d 1 34.406 74.389 104.895 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 33.649 76.244 105.203 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 32.807 76.842 106.674 0.00 0.00 0.264 P ATOM 5 O UNL d 1 33.573 76.773 107.955 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 32.339 78.316 106.260 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 32.569 78.535 105.337 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 31.409 76.055 106.708 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 30.880 76.181 105.898 0.00 0.00 0.220 HD ENDBRANCH 4 8 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 10 ATOM 10 C UNL d 1 32.642 74.569 103.838 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 31.459 73.642 104.080 0.00 0.00 0.168 C ATOM 12 O UNL d 1 31.425 72.468 103.748 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 30.416 74.274 104.666 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 30.706 75.173 104.930 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 7 REMARK VINA RESULT: -4.5 2.503 3.124 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: P_1 and O_2 REMARK 2 A between atoms: P_1 and O_3 REMARK 3 A between atoms: P_1 and C_8 REMARK 4 A between atoms: O_5 and C_10 REMARK 5 A between atoms: N_7 and C_8 REMARK 6 A between atoms: N_7 and C_9 REMARK 7 A between atoms: C_9 and C_10 ROOT ATOM 1 N UNL d 1 33.462 75.124 106.178 0.00 0.00 0.104 N ATOM 2 H UNL d 1 32.727 75.714 105.759 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 33.379 73.818 105.465 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 32.070 73.874 104.233 0.00 0.00 0.264 P ATOM 5 O UNL d 1 31.535 72.559 103.768 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 30.977 74.836 104.898 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 30.163 74.902 104.363 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 32.643 74.800 103.053 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 33.573 74.604 102.832 0.00 0.00 0.220 HD ENDBRANCH 4 8 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 10 ATOM 10 C UNL d 1 34.790 75.709 105.802 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 34.646 77.008 105.023 0.00 0.00 0.168 C ATOM 12 O UNL d 1 33.659 77.316 104.374 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 35.757 77.778 105.085 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 35.991 78.059 104.175 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 8 REMARK VINA RESULT: -4.5 1.664 1.892 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: P_1 and O_2 REMARK 2 A between atoms: P_1 and O_3 REMARK 3 A between atoms: P_1 and C_8 REMARK 4 A between atoms: O_5 and C_10 REMARK 5 A between atoms: N_7 and C_8 REMARK 6 A between atoms: N_7 and C_9 REMARK 7 A between atoms: C_9 and C_10 ROOT ATOM 1 N UNL d 1 33.344 77.831 107.611 0.00 0.00 0.104 N ATOM 2 H UNL d 1 33.611 78.388 106.785 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 32.733 76.583 107.070 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 32.276 76.822 105.348 0.00 0.00 0.264 P ATOM 5 O UNL d 1 31.914 75.593 104.578 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 31.118 77.924 105.420 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 30.766 78.153 104.539 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 33.484 77.662 104.705 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 34.359 77.265 104.876 0.00 0.00 0.220 HD ENDBRANCH 4 8 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 10 ATOM 10 C UNL d 1 34.603 77.401 108.303 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 35.640 76.864 107.327 0.00 0.00 0.168 C ATOM 12 O UNL d 1 36.133 75.750 107.391 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 35.998 77.777 106.394 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 36.123 77.314 105.539 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 9 REMARK VINA RESULT: -4.4 2.258 2.845 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: P_1 and O_2 REMARK 2 A between atoms: P_1 and O_3 REMARK 3 A between atoms: P_1 and C_8 REMARK 4 A between atoms: O_5 and C_10 REMARK 5 A between atoms: N_7 and C_8 REMARK 6 A between atoms: N_7 and C_9 REMARK 7 A between atoms: C_9 and C_10 ROOT ATOM 1 N UNL d 1 33.745 75.064 106.296 0.00 0.00 0.104 N ATOM 2 H UNL d 1 33.048 75.753 105.977 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 33.506 73.844 105.474 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 32.108 74.109 104.376 0.00 0.00 0.264 P ATOM 5 O UNL d 1 30.949 74.862 104.943 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 32.772 74.788 103.087 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 33.417 75.482 103.322 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 31.729 72.653 103.817 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 31.210 72.124 104.452 0.00 0.00 0.220 HD ENDBRANCH 4 8 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 10 ATOM 10 C UNL d 1 35.101 75.564 105.897 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 35.552 76.744 106.747 0.00 0.00 0.168 C ATOM 12 O UNL d 1 35.413 76.813 107.957 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 36.088 77.742 106.007 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 35.418 78.038 105.354 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL